1-methyl-3-phenylmethoxy-2-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridin-4-one

C23H25N3O4 — CID 170506152

IUPAC1-methyl-3-phenylmethoxy-2-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridin-4-one
SMILESCC(C)c1nc2c(o1)CCN(C(=O)c1c(OCc3ccccc3)c(=O)ccn1C)C2
InChIInChI=1S/C23H25N3O4/c1-15(2)22-24-17-13-26(12-10-19(17)30-22)23(28)20-21(18(27)9-11-25(20)3)29-14-16-7-5-4-6-8-16/h4-9,11,15H,10,12-14H2,1-3H3
InChIKeyHRHLSSXRXGAJAP-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.27
Rot. Bonds5

About 1-methyl-3-phenylmethoxy-2-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridin-4-one

1-methyl-3-phenylmethoxy-2-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridin-4-one (PubChem CID 170506152) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 1-methyl-3-phenylmethoxy-2-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridin-4-one.

Molecular Properties

Compound Name1-methyl-3-phenylmethoxy-2-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridin-4-one
PubChem CID170506152
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name1-methyl-3-phenylmethoxy-2-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridin-4-one
SMILESCC(C)c1nc2c(o1)CCN(C(=O)c1c(OCc3ccccc3)c(=O)ccn1C)C2
InChIInChI=1S/C23H25N3O4/c1-15(2)22-24-17-13-26(12-10-19(17)30-22)23(28)20-21(18(27)9-11-25(20)3)29-14-16-7-5-4-6-8-16/h4-9,11,15H,10,12-14H2,1-3H3
InChIKeyHRHLSSXRXGAJAP-UHFFFAOYSA-N
XLogP3.27
TPSA77.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenylmethoxy-2-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridin-4-one?
The IUPAC name of 1-methyl-3-phenylmethoxy-2-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridin-4-one (CID 170506152) is 1-methyl-3-phenylmethoxy-2-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridin-4-one.
What is the SMILES notation for 1-methyl-3-phenylmethoxy-2-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridin-4-one?
The canonical SMILES for 1-methyl-3-phenylmethoxy-2-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridin-4-one is CC(C)c1nc2c(o1)CCN(C(=O)c1c(OCc3ccccc3)c(=O)ccn1C)C2.
What is the InChIKey of 1-methyl-3-phenylmethoxy-2-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridin-4-one?
The InChIKey is HRHLSSXRXGAJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-15(2)22-24-17-13-26(12-10-19(17)30-22)23(28)20-21(18(27)9-11-25(20)3)29-14-16-7-5-4-6-8-16/h4-9,11,15H,10,12-14H2,1-3H3.
What are the key properties of 1-methyl-3-phenylmethoxy-2-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridin-4-one?
1-methyl-3-phenylmethoxy-2-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridin-4-one has a molecular weight of 407.47 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenylmethoxy-2-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridin-4-one is sourced from PubChem (CID 170506152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).